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42993

Supelco

Theobromine

analytical standard

Synonim(y):

2,6-Dihydroxy-3,7-dimethylpurine, 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, 3,7-Dimethylxanthine

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About This Item

Wzór empiryczny (zapis Hilla):
C7H8N4O2
Numer CAS:
83-67-0
Masa cząsteczkowa:
180.16
Beilstein:
16464
Numer WE:
201-494-2
Numer MDL:
MFCD00022830
Kod UNSPSC:
85151701
Identyfikator substancji w PubChem:
329756295
NACRES:
NA.24

klasa czystości

analytical standard

Poziom jakości

100

Próba

≥99.0% (HPLC)

okres trwałości

limited shelf life, expiry date on the label

metody

HPLC: suitable
gas chromatography (GC): suitable

mp

345-350 °C

przydatność

conforms to structure for Infrared spectrum

Zastosowanie

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

ciąg SMILES

[H]N1C(N(C)C2=C(N(C)C=N2)C1=O)=O

InChI

1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)

Klucz InChI

YAPQBXQYLJRXSA-UHFFFAOYSA-N

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Opis ogólny

Theobromine is an active bronchodilator drug ingredient used in the treatment of acute and chronic asthma. It is a naturally present alkaloid in a wide variety of foods and beverages, such as coffee, cocoa, tea, yerba mate and energizing drinks.

Zastosowanie

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Theobromine may be used as a reference standard for the determination of theobromine metabolites in human plasma and urine after consumption of soluble cocoa products with different methylxanthine contents by high-performance liquid chromatography and diode array detection (HPLC-DAD) method.

Działania biochem./fizjol.

Phosphosdiesterase inhibitor; weak adenosine receptor antagonist; diuretic; smooth muscle relaxant.

Polecane produkty

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.
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Piktogramy

Exclamation mark
GHS07

Hasło ostrzegawcze

Warning

Zwroty wskazujące rodzaj zagrożenia

H302,H319

Klasyfikacja zagrożeń

Acute Tox. 4 Oral - Eye Irrit. 2

Kod klasy składowania

11 - Combustible Solids

Klasa zagrożenia wodnego (WGK)

WGK 1

Temperatura zapłonu (°F)

Not applicable

Temperatura zapłonu (°C)

Not applicable

Choose from one of the most recent versions:

Certyfikaty analizy (CoA)

Lot/Batch Number
BCCL4256
BCCJ9394
BCCH4978
BCCG6413
BCCB7774

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1,7-Dimethylxanthine ~98%, solid

Sigma-Aldrich

D5385

1,7-Dimethylxanthine

Mouse IL-1 β ELISA Kit for serum, plasma and cell culture supernatant

Sigma-Aldrich

RAB0274

Mouse IL-1 β ELISA Kit

(−)-Epicatechin analytical standard

Supelco

68097

(−)-Epicatechin

Paraxanthine solution 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

Supelco

IMPC-051-03

Paraxanthine solution

Caffeine Pharmaceutical Secondary Standard; Certified Reference Material

Supelco

PHR1009

Caffeine

Theobromine, caffeine, and theophylline metabolites in human plasma and urine after consumption of soluble cocoa products with different methylxanthine contents.
Martinez-Lopez S.
Food Research International, 63, 446-455 (2014)
Rita Petrucci et al.
Biochimica et biophysica acta. General subjects, 1862(8), 1781-1789 (2018-05-16)
Antioxidant properties have been recently suggested for caffeine that seems showing protective effects against damages caused by oxidative stress. In particular, a HO scavenging activity has been ascribed to caffeine. Even if the oxidation of caffeine has been widely studied
Marcia S Bispo et al.
Journal of chromatographic science, 40(1), 45-48 (2002-03-02)
This work relates the development of an analytical methodology to simultaneously determine three methylxanthines (caffeine, theobromine, and theophylline) in beverages and urine samples based on reversed-phase high-performance liquid chromatography. Separation is made with a Bondesil C18 column using methanol-water-acetic acid
Anne-Laure Gassner et al.
Journal of chromatography. A, 1353, 121-130 (2014-06-14)
Procedures for estimating the measurement uncertainty (MU) of the concentration of a given analyte in a sample are of major concern for analytical chemists. Unfortunately, it is still unclear how and why MU should be assessed. While several possibilities exist
Felix Grases et al.
PloS one, 9(10), e111184-e111184 (2014-10-22)
To assess the capacity of methylxanthines (caffeine, theophylline, theobromine and paraxanthine) to inhibit uric acid crystallization, and to evaluate their potential application in the treatment of uric acid nephrolithiasis. The ability of methylxathines to inhibit uric acid nucleation was assayed
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